methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate

C11H16N2O4S2 — CID 103847980

IUPACmethyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C11H16N2O4S2/c1-8-12-7-10(18-8)19(15,16)13-6-4-3-5-9(13)11(14)17-2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyNPDLKEYWPILPGF-SECBINFHSA-N
MW304.39 g/mol
LogP1.17
Rot. Bonds3

About methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate

methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate (PubChem CID 103847980) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
PubChem CID103847980
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Namemethyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C11H16N2O4S2/c1-8-12-7-10(18-8)19(15,16)13-6-4-3-5-9(13)11(14)17-2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyNPDLKEYWPILPGF-SECBINFHSA-N
XLogP1.17
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 104937088
methyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 103100590
3-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]propanoic acid
CID 104937156
N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
CID 103415164
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 103862581
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one
CID 103414737
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
CID 61046496
methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate
CID 103847983
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
methyl 1-(1H-pyrrol-3-ylsulfonyl)piperidine-2-carboxylate
CID 113330736
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 61041426
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine
CID 103416218

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate (CID 103847980) is methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate?
The InChIKey is NPDLKEYWPILPGF-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-8-12-7-10(18-8)19(15,16)13-6-4-3-5-9(13)11(14)17-2/h7,9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate?
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate is sourced from PubChem (CID 103847980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).